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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2338570
CHEMBL2338570
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H23ClN2O3

Additional synonyms for CHEMBL2338570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(c1)C(=O)N[C@H]2CCC[C@@H](C2)NC(=O)c3cccc(Cl)c3
Standard InChI InChI=1S/C21H23ClN2O3/c1-27-19-10-3-6-15(12-19)21(26)24-18-9 ...
Download InChI
Standard InChI Key GDTCTGVPWSLKDA-ROUUACIJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2338570

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
386.9 386.1397 3.82 5 67.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.71 - 3.69 3.69 2 27 0.82

Structural Alerts

There are no structural alerts for CHEMBL2338570

Compound Cross References

ChemSpider ChemSpider:GDTCTGVPWSLKDA-ROUUACIJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2338570



BindingDB 50429434
PubChem 71717108
ZINC ZINC000095586201

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GDTCTGVPWSLKDA-ROUUACIJSA-N spacer
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